4-[[pyrazin-2-ylcarbonyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[pyrazin-2-ylcarbonyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]benzoic acid Openeye Name: 4-[[pyrazine-2-carbonyl(tetralin-1-yl)amino]methyl]benzoic acid CAS Name: 4-[[[oxo(2-pyrazinyl)methyl]-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]benzoic acid IUPAC Name: 4-[[pyrazine-2-carbonyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]benzoic acid Traditional Name: 4-[[pyrazinoyl(tetralin-1-yl)amino]methyl]benzoic acid Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC=CC=C2C1)N(CC3=CC=C(C=C3)C(=O)O)C(=O)C4=NC=CN=C4

Isomeric SMILES

C1CC(C2=CC=CC=C2C1)N(CC3=CC=C(C=C3)C(=O)O)C(=O)C4=NC=CN=C4

InChI

InChI=1S/C23H21N3O3/c27-22(20-14-24-12-13-25-20)26(15-16-8-10-18(11-9-16)23(28)29)21-7-3-5-17-4-1-2-6-19(17)21/h1-2,4,6,8-14,21H,3,5,7,15H2,(H,28,29)